N-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethoxy-4-methylbenzamide

C16H25NO4 — CID 61246474

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NC(CO)CC(C)C)cc(OC)c1C
InChIInChI=1S/C16H25NO4/c1-10(2)6-13(9-18)17-16(19)12-7-14(20-4)11(3)15(8-12)21-5/h7-8,10,13,18H,6,9H2,1-5H3,(H,17,19)
InChIKeyHXCAEFCMYSDJEC-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.15
Rot. Bonds7

About N-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethoxy-4-methylbenzamide

N-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethoxy-4-methylbenzamide (PubChem CID 61246474) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethoxy-4-methylbenzamide
PubChem CID61246474
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NC(CO)CC(C)C)cc(OC)c1C
InChIInChI=1S/C16H25NO4/c1-10(2)6-13(9-18)17-16(19)12-7-14(20-4)11(3)15(8-12)21-5/h7-8,10,13,18H,6,9H2,1-5H3,(H,17,19)
InChIKeyHXCAEFCMYSDJEC-UHFFFAOYSA-N
XLogP2.15
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxy-5-methylbenzamide
CID 61245771
3,5-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61245438
N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-3,5-dimethoxy-4-methylbenzamide
CID 97235379
N-(1-bromo-4-methylpentan-2-yl)-3,4-dimethoxybenzamide
CID 114311669
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxybenzamide
CID 113344752
2-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-4-methylpentanoic acid
CID 119253434
N-(1-hydroxy-4-methylpentan-2-yl)-4-(methoxymethyl)benzamide
CID 61245639
N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-3-carboxamide
CID 61247488
4-ethoxy-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246765
4-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 103957663
3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide
CID 61247340
N-(1-hydroxy-4-methylpentan-2-yl)-1H-pyrazole-4-carboxamide
CID 61245282

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethoxy-4-methylbenzamide (CID 61246474) is N-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethoxy-4-methylbenzamide is COc1cc(C(=O)NC(CO)CC(C)C)cc(OC)c1C.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is HXCAEFCMYSDJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-10(2)6-13(9-18)17-16(19)12-7-14(20-4)11(3)15(8-12)21-5/h7-8,10,13,18H,6,9H2,1-5H3,(H,17,19).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethoxy-4-methylbenzamide?
N-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethoxy-4-methylbenzamide has a molecular weight of 295.38 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 61246474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).